CID 6602199

51478-21-8

Structural Information

Molecular Formula
C20H29NO
SMILES
C[C@@H]1[C@H]2CC3=C([C@@]1(CCCN2CC=C(C)C)C)C=C(C=C3)O
InChI
InChI=1S/C20H29NO/c1-14(2)8-11-21-10-5-9-20(4)15(3)19(21)12-16-6-7-17(22)13-18(16)20/h6-8,13,15,19,22H,5,9-12H2,1-4H3/t15-,19-,20-/m1/s1
InChIKey
MULQVSKPRKIRMH-CDHQVMDDSA-N
Compound name
(1R,9R,14S)-1,14-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.2249 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 169.9
[M+Na]+ 322.21412 179.6
[M+NH4]+ 317.25872 179.0
[M+K]+ 338.18806 171.9
[M-H]- 298.21762 171.1
[M+Na-2H]- 320.19957 172.8
[M]+ 299.22435 171.8
[M]- 299.22545 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe